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Fluorine in PDB 5so4: Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A:
2.3.1.179;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A, PDB code: 5so4 was solved by R.Brenk, C.Georgiou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 59.43 / 1.59
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 137.796, 65.808, 84.507, 90, 93.9, 90
R / Rfree (%) 18.6 / 22

Other elements in 5so4:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A also contains other interesting chemical elements:

Bromine (Br) 4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A (pdb code 5so4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A, PDB code: 5so4:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 5so4

Go back to Fluorine Binding Sites List in 5so4
Fluorine binding site 1 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:35.6
occ:0.50
 F07 A:Q4K501 0.0 35.6 0.5
C06 A:Q4K501 1.3 32.3 0.5
C04 A:Q4K501 2.3 33.6 0.5
O B:GLU182 2.4 21.5 1.0
C08 A:Q4K501 2.4 31.5 0.5
C11 A:Q4K501 2.7 27.9 0.5
C10 A:Q4K501 2.8 29.4 0.5
O03 A:Q4K501 2.9 36.1 0.5
C02 A:Q4K501 2.9 34.0 0.5
O09 A:Q4K501 3.0 32.5 0.5
C B:GLU182 3.3 22.1 1.0
O05 A:Q4K501 3.3 30.7 0.5
CB B:GLU182 3.5 28.4 1.0
CA B:GLU182 3.5 23.9 1.0
CG B:PRO156 3.7 20.6 1.0
CD B:PRO156 3.8 18.8 1.0
C12 A:Q4K501 3.9 27.2 0.5
N16 A:Q4K501 4.1 28.5 0.5
CG B:GLU182 4.4 34.6 1.0
C01 A:Q4K501 4.5 34.2 0.5
N B:ALA183 4.5 18.8 1.0
CB B:PRO156 4.7 19.1 1.0
N B:PRO156 4.7 16.8 1.0
C13 A:Q4K501 4.8 27.5 0.5
C15 A:Q4K501 4.9 27.7 0.5
O A:MET263 4.9 21.4 1.0

Fluorine binding site 2 out of 4 in 5so4

Go back to Fluorine Binding Sites List in 5so4
Fluorine binding site 2 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:39.2
occ:0.70
 F07 A:Q4K502 0.0 39.2 0.7
C06 A:Q4K502 1.3 42.9 0.7
C04 A:Q4K502 2.3 42.9 0.7
C08 A:Q4K502 2.4 40.5 0.7
C10 A:Q4K502 2.6 40.3 0.7
N16 A:Q4K502 2.8 38.7 0.7
O05 A:Q4K502 3.1 42.1 0.7
O09 A:Q4K502 3.1 46.0 0.7
O03 A:Q4K502 3.2 45.2 0.7
C11 A:Q4K502 3.6 37.7 0.7
C15 A:Q4K502 3.9 38.7 0.7
C12 A:Q4K502 4.5 37.6 0.7
C02 A:Q4K502 4.5 44.5 0.7
C13 A:Q4K502 4.6 38.1 0.7

Fluorine binding site 3 out of 4 in 5so4

Go back to Fluorine Binding Sites List in 5so4
Fluorine binding site 3 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F503

b:16.7
occ:0.35
 F07 A:Q4K503 0.0 16.7 0.3
C06 A:Q4K503 1.4 14.6 0.3
C08 A:Q4K503 1.6 22.0 0.4
O A:ILE109 2.2 23.7 1.0
C04 A:Q4K503 2.3 13.4 0.3
C08 A:Q4K503 2.4 14.5 0.3
C06 A:Q4K503 2.5 22.0 0.4
C10 A:Q4K503 2.5 22.4 0.4
O09 A:Q4K503 2.6 24.0 0.4
O09 A:Q4K503 2.7 17.7 0.3
C04 A:Q4K503 2.8 21.7 0.4
C11 A:Q4K503 2.9 24.2 0.4
C10 A:Q4K503 3.0 14.3 0.3
O05 A:Q4K503 3.1 13.0 0.3
O03 A:Q4K503 3.1 11.1 0.3
O03 A:Q4K503 3.3 20.4 0.4
N16 A:Q4K503 3.3 14.3 0.3
CD1 A:ILE115 3.4 24.3 1.0
O05 A:Q4K503 3.4 24.0 0.4
C A:ILE109 3.4 23.4 1.0
N16 A:Q4K503 3.7 22.4 0.4
F07 A:Q4K503 3.8 21.0 0.4
N A:GLY111 3.9 21.3 1.0
C11 A:Q4K503 3.9 14.1 0.3
CA A:GLY110 4.0 20.4 1.0
C A:GLY110 4.0 19.8 1.0
N A:GLY110 4.2 19.3 1.0
C12 A:Q4K503 4.2 24.5 0.4
C02 A:Q4K503 4.3 19.8 0.4
C02 A:Q4K503 4.3 10.9 0.3
C15 A:Q4K503 4.4 14.9 0.3
CA A:ILE109 4.5 23.1 1.0
CG2 A:ILE109 4.7 30.1 1.0
CD1 A:ILE140 4.7 16.3 1.0
C15 A:Q4K503 4.8 23.0 0.4
O A:GLY110 4.8 17.6 1.0
CG1 A:ILE140 4.8 15.9 1.0
CG1 A:ILE115 4.8 25.7 1.0
O A:SER138 4.9 20.5 1.0
C A:GLY111 4.9 24.6 1.0
N A:LEU112 4.9 23.7 1.0
C12 A:Q4K503 4.9 14.8 0.3
CA A:GLY111 5.0 21.6 1.0
C13 A:Q4K503 5.0 22.9 0.4

Fluorine binding site 4 out of 4 in 5so4

Go back to Fluorine Binding Sites List in 5so4
Fluorine binding site 4 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F503

b:21.0
occ:0.36
 F07 A:Q4K503 0.0 21.0 0.4
C06 A:Q4K503 1.3 22.0 0.4
C08 A:Q4K503 1.8 14.5 0.3
C04 A:Q4K503 2.2 21.7 0.4
C06 A:Q4K503 2.5 14.6 0.3
C08 A:Q4K503 2.5 22.0 0.4
C10 A:Q4K503 2.6 14.3 0.3
O B:HOH604 2.6 43.7 1.0
C04 A:Q4K503 2.7 13.4 0.3
O B:ILE109 2.7 19.4 0.7
O05 A:Q4K503 2.7 24.0 0.4
C11 A:Q4K503 2.8 14.1 0.3
O09 A:Q4K503 3.0 24.0 0.4
O09 A:Q4K503 3.0 17.7 0.3
O05 A:Q4K503 3.1 13.0 0.3
C10 A:Q4K503 3.1 22.4 0.4
O03 A:Q4K503 3.2 20.4 0.4
O03 A:Q4K503 3.4 11.1 0.3
N B:GLY111 3.5 22.4 1.0
N16 A:Q4K503 3.5 22.4 0.4
CD1 B:ILE115 3.6 31.4 1.0
C B:ILE109 3.6 20.1 0.7
F07 A:Q4K503 3.8 16.7 0.3
N16 A:Q4K503 3.8 14.3 0.3
C B:GLY110 3.8 19.9 1.0
CA B:GLY110 3.9 19.1 1.0
C11 A:Q4K503 3.9 24.2 0.4
N B:GLY110 4.1 18.9 1.0
C12 A:Q4K503 4.2 14.8 0.3
C02 A:Q4K503 4.3 10.9 0.3
C02 A:Q4K503 4.4 19.8 0.4
CA B:GLY111 4.5 23.7 1.0
C15 A:Q4K503 4.6 23.0 0.4
C B:GLY111 4.6 26.6 1.0
CD1 B:ILE140 4.7 17.5 1.0
O B:GLY110 4.7 20.1 1.0
CA B:ILE109 4.8 21.5 0.7
N B:LEU112 4.8 31.2 1.0
C15 A:Q4K503 4.8 14.9 0.3
C12 A:Q4K503 4.9 24.5 0.4
O B:SER138 4.9 23.6 1.0
C13 A:Q4K503 5.0 14.6 0.3
CG1 B:ILE140 5.0 17.4 1.0

Reference:

R.Brenk, C.Georgiou. Pandda Analysis Group Deposition To Be Published.
Page generated: Thu Aug 1 14:42:41 2024

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